14-Hydroxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one | 172950-91-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 14-Hydroxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
• CAS: 172950-91-3
• 化学式: C₂₁H₁₅N₃O₂
• 分子量: 341.369
• InChiKey: GEUNCTZLKGWSKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  72.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  14-Hydroxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one 在 palladium on activated charcoal 氢气 作用下， 以58%的产率得到13-Methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
  参考文献：
  名称：

  Simple Synthesis of 2,2'-Bisindole from Indigo and Its Application for the Syntheses of Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one Derivatives

  摘要：

  Indigo was converted to 2,2'-bisindole, from which 6-substituted indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one derivatives were prepared in short steps. Bromination of 6-methylindolo[2,3-a]pyrrolo[3,4-c]carbazole5,7-(6H)dione is also reported.

  DOI：

  10.3987/com-95-7192
• 作为产物：
  描述：

  5,6-dimethoxycarbonylindolo<2,3-a>carbazole 在 sodium tetrahydroborate 、 盐酸甲胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 14-Hydroxy-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
  参考文献：
  名称：

  Simple Synthesis of 2,2'-Bisindole from Indigo and Its Application for the Syntheses of Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one Derivatives

  摘要：

  Indigo was converted to 2,2'-bisindole, from which 6-substituted indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one derivatives were prepared in short steps. Bromination of 6-methylindolo[2,3-a]pyrrolo[3,4-c]carbazole5,7-(6H)dione is also reported.

  DOI：

  10.3987/com-95-7192

文献信息

• New Synthesis of KT5823 Indolocarbazole Aglycone
  作者：David J. Madge、Guillaume E. Burtin、David L. Selwood

  DOI：10.3987/com-00-8992

  日期：——
• Simple Synthesis of 2,2'-Bisindole from Indigo and Its Application for the Syntheses of Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one Derivatives
  作者：Masanori Somei、Hiroyuki Hayashi、Tohru Izumi、Shinobu Ohmoto

  DOI：10.3987/com-95-7192

  日期：——

  Indigo was converted to 2,2'-bisindole, from which 6-substituted indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-(6H)dione and -5-(6H)one derivatives were prepared in short steps. Bromination of 6-methylindolo[2,3-a]pyrrolo[3,4-c]carbazole5,7-(6H)dione is also reported.